2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one

C19H18O9 — CID 172651857

IUPAC2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
SMILESCOc1c(OC)c(OC)c2c(=O)c(OC)c(-c3cccc(O)c3O)oc2c1O
InChIInChI=1S/C19H18O9/c1-24-16-10-12(22)17(25-2)14(8-6-5-7-9(20)11(8)21)28-15(10)13(23)18(26-3)19(16)27-4/h5-7,20-21,23H,1-4H3
InChIKeyRRTOSJSZANLAJP-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.61
Rot. Bonds5

About 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one

2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one (PubChem CID 172651857) has the molecular formula C19H18O9 and a molecular weight of 390.34 g/mol. Its IUPAC name is 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
PubChem CID172651857
Molecular FormulaC19H18O9
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
SMILESCOc1c(OC)c(OC)c2c(=O)c(OC)c(-c3cccc(O)c3O)oc2c1O
InChIInChI=1S/C19H18O9/c1-24-16-10-12(22)17(25-2)14(8-6-5-7-9(20)11(8)21)28-15(10)13(23)18(26-3)19(16)27-4/h5-7,20-21,23H,1-4H3
InChIKeyRRTOSJSZANLAJP-UHFFFAOYSA-N
XLogP2.61
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-dioxo-2,4-dioxa-3λ6-thiabicyclo[3.3.1]nona-1(9),5,7-trien-9-yl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
CID 171127189
2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one
CID 69119541
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
CID 70253991
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
3-hydroxy-1,2,4-trimethoxyxanthen-9-one
CID 5386265
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
CID 15137940
4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103630
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
CID 163087420

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one?
The IUPAC name of 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one (CID 172651857) is 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one.
What is the SMILES notation for 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one?
The canonical SMILES for 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one is COc1c(OC)c(OC)c2c(=O)c(OC)c(-c3cccc(O)c3O)oc2c1O.
What is the InChIKey of 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one?
The InChIKey is RRTOSJSZANLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O9/c1-24-16-10-12(22)17(25-2)14(8-6-5-7-9(20)11(8)21)28-15(10)13(23)18(26-3)19(16)27-4/h5-7,20-21,23H,1-4H3.
What are the key properties of 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one?
2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one has a molecular weight of 390.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one is sourced from PubChem (CID 172651857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).